1-(furan-2-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidine-4-carboxamide

• ChemBase ID: 395868
• Molecular Formular: C21H26N2O2
• Molecular Mass: 338.44334
• Monoisotopic Mass: 338.19942808
• SMILES: C(=O)(NC1Cc2c(CC1)cccc2)C1CCN(Cc2occc2)CC1
• Canonical SMILES: O=C(C1CCN(CC1)Cc1ccco1)NC1CCc2c(C1)cccc2
• InChI: InChI=1S/C21H26N2O2/c24-21(22-19-8-7-16-4-1-2-5-18(16)14-19)17-9-11-23(12-10-17)15-20-6-3-13-25-20/h1-6,13,17,19H,7-12,14-15H2,(H,22,24)
• InChIKey: APZRLFHVXMWXFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(furan-2-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidine-4-carboxamide
• IUPAC Traditional name: 1-(furan-2-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidine-4-carboxamide
• Synonyms: 1-(2-furylmethyl)-N-(1,2,3,4-tetrahydro-2-naphthalenyl)-4-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.3907
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.2907107
• LogD (pH = 7.4): 2.0615683
• Log P: 3.0220919
• Molar Refractivity: 99.0408 cm^3
• Polarizability: 38.31724 Å^3
• Polar Surface Area: 45.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.39
• LOG S: -4.56
• Polar Surface Area: 45.48 Å^2
• Rotatable Bonds: 4